SCHEMBL2760180

SCHEMBL2760180

CCN1CCn2cncc2C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.33
CHRNA7 P36544 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
ALDH1A1 P00352 1/20 0.31
COMT P21964 1/20 0.31
CDK1 P06493 1/20 0.30
MYT1 Q01538 1/20 0.30
SPR P35270 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
RAD52 P43351 1/20 0.30
GFER P55789 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25125516 0.78 JAK2 (0.31) NAMPT
SCHEMBL1991840 0.75 SIGMAR1 (0.52) ALDH1A1COMTKDM4EGAAMAPT
SCHEMBL9944699 0.75 NAMPT (0.35) NAMPTCDK1MYT1SPR
SCHEMBL16835325 0.74 CHRM5 (0.42) HRH3SMN1; SMN2
SCHEMBL24348789 0.71 SIGMAR1 (0.47) HRH3ALDH1A1COMTMAPTGFER
SCHEMBL2736032 0.70 NAMPT (0.33) NAMPTCDK1MYT1SPR
SCHEMBL10361609 0.70 NAMPT (0.33) NAMPTHRH3ALDH1A1CDK1MYT1
SCHEMBL6369683 0.68 DRD3 (0.41) CHRNA7ALDH1A1KDM4EGAAMAPT
SCHEMBL14234863 0.67 DRD2 (0.42) CHRNA7HRH3ALDH1A1KDM4EGAA
SCHEMBL17722613 0.67 CBLB (0.32) NAMPTCHRNA7HRH3ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017140825-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-08-24 WO disclosed
US-20160311817-A1 HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2016-10-27 US disclosed
US-20150197529-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2015-07-16 US disclosed
US-8088770-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES,INC. (US) 2009-07-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090181902-A1 Modulators of pharmacokinetic properties of therapeutics SLC10A1, SLC10A2, SLC26A4 NAMPT 968/4885CHRNA7 3834/4885HRH3 2433/4885
US-20150197529-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA NAMPT 2372/4885CHRNA7 1750/4885HRH3 303/4885
US-20160311817-A1 HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORA, RORB NAMPT 3400/4885CHRNA7 1254/4885HRH3 250/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.